Mol:FL5FEAGL0010

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FL5FEAGL0010.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 37 40  0  0  0  0  0  0  0  0999 V2000 
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    1.1126    0.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7249   -0.3355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4704   -0.1225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    3.1949   -0.9341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.5058   -1.8798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -2.8062    0.0737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  1  2  0  0  0  0 
  4  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  7 11  2  0  0  0  0 
  9 12  1  0  0  0  0 
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 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
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 16 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
 19 20  1  0  0  0  0 
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 19 25  1  0  0  0  0 
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 23 27  1  0  0  0  0 
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 22 21  1  1  0  0  0 
 15 28  1  0  0  0  0 
  3 29  1  0  0  0  0 
  1 30  1  0  0  0  0 
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  2 36  1  0  0  0  0 
 36 37  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  36  37 
M  SBL   1  1  39 
M  SMT   1 ^OCH3 
M  SBV   1 39   -5.9296    6.5942 
S  SKP  8 
ID	FL5FEAGL0010 
KNApSAcK_ID	C00005935 
NAME	6-Methoxykaempferol 3-(6''-acetylglucoside) 
CAS_RN	118201-25-5 
FORMULA	C24H24O13 
EXACTMASS	520.121690854 
AVERAGEMASS	520.43956 
SMILES	c(c4OC)(O)c(c(cc(O)4)2)C(=O)C(=C(c(c3)ccc(c3)O)O2)OC(O1)C(O)C(O)C(O)C1COC(C)=O 
M  END
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